N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H21F3N2O3 — CID 111477976

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H21F3N2O3/c1-4-10(2)14(3,23)9-19-12(21)8-20-7-11(15(16,17)18)5-6-13(20)22/h5-7,10,23H,4,8-9H2,1-3H3,(H,19,21)
InChIKeyCHFFVFKTEODINB-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.78
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111477976) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111477976
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H21F3N2O3/c1-4-10(2)14(3,23)9-19-12(21)8-20-7-11(15(16,17)18)5-6-13(20)22/h5-7,10,23H,4,8-9H2,1-3H3,(H,19,21)
InChIKeyCHFFVFKTEODINB-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111477976) is N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCC(C)C(C)(O)CNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CHFFVFKTEODINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-4-10(2)14(3,23)9-19-12(21)8-20-7-11(15(16,17)18)5-6-13(20)22/h5-7,10,23H,4,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111477976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).